methyl 4-(4-bromophenyl)-2-(hexanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(hexanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(hexanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-(1-oxohexylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(hexanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(caproylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H20BrNO3S MolecularWeight: 410.3253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCCCCC(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C18H20BrNO3S/c1-3-4-5-6-15(21)20-17-16(18(22)23-2)14(11-24-17)12-7-9-13(19)10-8-12/h7-11H,3-6H2,1-2H3,(H,20,21)